#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whm s SER 2 N 0.00 5.71 -0.41 1.61 1.04 -1.26 -5.01 113.70 115.38 1whm s SER 2 Ca 0.00 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.05 1whm s SER 2 Cb 0.00 -2.05 0.17 0.00 0.10 0.00 0.00 66.02 64.24 1whm s SER 2 CO 0.00 -0.18 0.39 -0.55 0.98 0.00 0.00 173.24 173.88 1whm s SER 3 N 1.66 1.16 0.00 7.02 0.15 -1.26 -5.10 113.70 117.33 1whm s SER 3 Ca 0.05 -2.42 0.00 0.00 0.70 0.00 0.00 55.95 54.28 1whm s SER 3 Cb -0.17 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1whm s SER 3 CO 0.08 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1whm n GLY 4 N 3.33 0.17 2.43 9.45 0.00 -1.26 -4.72 105.19 114.59 1whm n GLY 4 Ca 0.22 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1whm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whm n SER 5 N -0.47 7.40 -2.62 1.61 7.64 -1.26 -4.66 113.62 121.25 1whm n SER 5 Ca 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 58.87 57.21 1whm n SER 5 Cb 0.00 -1.58 -0.02 0.00 -1.01 0.00 0.00 64.21 61.60 1whm n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whm n SER 6 N 4.28 -4.35 0.00 6.43 7.64 -1.26 -4.89 113.62 121.47 1whm n SER 6 Ca 0.71 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.95 1whm n SER 6 Cb 0.27 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.29 1whm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whm n GLY 7 N 1.14 0.48 3.54 0.23 0.00 -1.26 -5.09 105.19 104.23 1whm n GLY 7 Ca -0.19 -0.18 -0.49 0.00 0.00 0.00 0.00 46.02 45.15 1whm n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1whm n PRO 8 N 0.00 1.47 -0.09 1.61 -0.02 -1.26 -4.86 135.00 131.85 1whm n PRO 8 Ca 0.00 0.45 -0.07 0.00 -2.02 0.00 0.00 63.50 61.86 1whm n PRO 8 Cb 0.00 -2.60 0.09 0.00 -0.02 0.00 0.00 33.50 30.97 1whm n PRO 8 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1whm h PRO 9 N 11.73 0.79 -6.12 0.52 0.13 -1.86 -3.40 132.00 133.79 1whm h PRO 9 Ca -0.36 -0.30 -0.56 0.00 -0.87 0.00 0.00 66.00 63.91 1whm h PRO 9 Cb 1.30 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1whm h PRO 9 CO 0.99 0.92 0.26 -1.17 -0.23 0.00 0.00 178.00 178.77 1whm s LEU 10 N -8.95 4.29 0.21 1.56 2.96 -1.26 -4.81 118.68 112.69 1whm s LEU 10 Ca -0.09 1.32 -0.31 0.00 -0.22 0.00 0.00 54.13 54.83 1whm s LEU 10 Cb 0.13 -3.27 -0.10 0.00 0.50 0.00 0.00 46.19 43.45 1whm s LEU 10 CO 0.83 -0.25 1.55 -1.61 -1.32 0.00 0.00 176.35 175.56 1whm s GLU 11 N 1.28 4.21 0.48 1.98 2.02 -1.26 -4.93 118.70 122.48 1whm s GLU 11 Ca 0.42 2.40 -0.20 0.00 0.02 0.00 0.00 54.97 57.60 1whm s GLU 11 Cb -0.18 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 1whm s GLU 11 CO 0.19 -0.57 1.04 0.42 0.02 0.00 0.00 175.26 176.36 1whm s ILE 12 N 0.64 3.79 -1.69 -1.63 -1.09 -1.26 -3.44 121.20 116.51 1whm s ILE 12 Ca 0.66 1.13 -0.01 0.00 -2.23 0.00 0.00 60.65 60.20 1whm s ILE 12 Cb -0.44 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1whm s ILE 12 CO 0.37 -0.23 0.19 0.59 -1.23 0.00 0.00 174.94 174.63 1whm n ASN 13 N -0.92 -5.93 -4.75 3.58 4.13 -1.16 -4.98 115.26 105.23 1whm n ASN 13 Ca 0.09 -0.10 -0.24 0.00 1.68 0.00 0.00 54.58 56.01 1whm n ASN 13 Cb 0.52 -4.88 -0.07 0.00 -1.54 0.00 0.00 39.78 33.82 1whm n ASN 13 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1whm s SER 14 N -2.27 4.49 -0.24 6.41 0.01 -1.22 -4.86 113.70 116.01 1whm s SER 14 Ca 0.09 -1.05 -0.09 0.00 1.31 0.00 0.00 55.95 56.21 1whm s SER 14 Cb -0.04 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.67 1whm s SER 14 CO 0.12 -0.56 0.13 -0.13 0.41 0.00 0.00 173.24 173.20 1whm s ARG 15 N -3.93 3.97 -0.02 12.44 1.81 -1.26 0.10 118.95 132.05 1whm s ARG 15 Ca 0.42 -0.33 -0.13 0.00 -1.72 0.00 0.00 55.73 53.97 1whm s ARG 15 Cb 0.03 -3.46 0.02 0.00 -0.45 0.00 0.00 34.95 31.09 1whm s ARG 15 CO 0.23 0.02 0.28 0.14 -0.68 0.00 0.00 175.30 175.29 1whm s VAL 16 N 1.13 0.06 0.64 3.52 -7.23 0.17 -4.34 120.40 114.34 1whm s VAL 16 Ca 0.06 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1whm s VAL 16 Cb -0.14 -0.56 0.09 0.00 0.56 0.00 0.00 36.38 36.33 1whm s VAL 16 CO 0.05 -0.25 0.88 -0.44 -0.31 0.00 0.00 175.10 175.02 1whm s SER 17 N -1.18 4.78 -0.05 4.85 0.01 -0.49 0.10 113.70 121.72 1whm s SER 17 Ca -0.12 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 1whm s SER 17 Cb -0.05 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.10 1whm s SER 17 CO 0.03 -1.54 0.12 -0.76 0.41 0.00 0.00 173.24 171.50 1whm s LEU 18 N -4.90 1.31 -0.98 2.44 1.43 0.31 -0.17 118.68 118.12 1whm s LEU 18 Ca 0.63 0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 53.76 1whm s LEU 18 Cb -0.06 0.38 0.08 0.00 0.03 0.00 0.00 46.19 46.61 1whm s LEU 18 CO 0.41 -0.07 1.34 -0.75 0.23 0.00 0.00 176.35 177.51 1whm s LYS 19 N 0.40 3.58 -0.24 1.70 2.20 0.77 -0.80 119.74 127.34 1whm s LYS 19 Ca -0.03 -1.30 -0.08 0.00 -0.36 0.00 0.00 55.97 54.20 1whm s LYS 19 Cb -0.04 -5.17 -0.04 0.00 -1.51 0.00 0.00 37.83 31.07 1whm s LYS 19 CO -0.02 -2.06 0.10 0.14 -0.36 0.00 0.00 175.35 173.15 1whm s VAL 20 N 4.26 4.73 0.00 4.02 -7.23 0.19 -4.94 120.40 121.43 1whm s VAL 20 Ca 0.41 -0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1whm s VAL 20 Cb -0.02 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1whm s VAL 20 CO -0.09 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 1whm n GLY 21 N 4.65 1.77 0.52 2.32 0.00 -1.26 -1.73 105.19 111.46 1whm n GLY 21 Ca -0.16 0.27 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1whm n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whm n GLU 22 N 2.06 1.44 -3.89 1.61 1.02 -1.26 -5.04 120.64 116.58 1whm n GLU 22 Ca 0.00 -3.07 -0.08 0.00 -0.02 0.00 0.00 57.16 53.99 1whm n GLU 22 Cb 0.00 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 29.87 1whm n GLU 22 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1whm s THR 23 N -2.99 0.00 0.20 2.62 -1.32 -0.70 -5.18 115.64 108.27 1whm s THR 23 Ca 0.36 -1.11 0.06 0.00 -1.21 0.00 0.00 61.69 59.79 1whm s THR 23 Cb 0.35 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.30 1whm s THR 23 CO -0.05 -0.02 0.12 -0.63 -2.21 0.00 0.00 174.62 171.83 1whm s ILE 24 N -3.95 4.27 -0.08 5.08 -1.09 -1.26 -0.63 121.20 123.55 1whm s ILE 24 Ca 0.15 -1.29 -0.02 0.00 -2.23 0.00 0.00 60.65 57.26 1whm s ILE 24 Cb -0.03 -3.22 0.04 0.00 -1.58 0.00 0.00 42.46 37.66 1whm s ILE 24 CO 0.06 -0.20 0.05 -1.61 -1.23 0.00 0.00 174.94 172.02 1whm s GLU 25 N -3.33 0.10 0.26 2.79 2.02 0.02 -4.89 118.70 115.67 1whm s GLU 25 Ca 0.31 0.21 -0.30 0.00 0.02 0.00 0.00 54.97 55.22 1whm s GLU 25 Cb -0.09 -0.90 -0.10 0.00 0.10 0.00 0.00 34.13 33.15 1whm s GLU 25 CO 0.23 -0.40 1.32 -1.12 0.02 0.00 0.00 175.26 175.31 1whm s SER 26 N 2.11 6.83 0.06 -0.19 0.01 -1.26 -0.53 113.70 120.74 1whm s SER 26 Ca 0.04 2.54 -0.01 0.00 1.31 0.00 0.00 55.95 59.83 1whm s SER 26 Cb -0.13 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1whm s SER 26 CO -0.05 -0.54 0.10 0.61 0.41 0.00 0.00 173.24 173.78 1whm n GLY 27 N 1.76 2.56 3.53 3.44 0.00 0.29 -4.13 105.19 112.63 1whm n GLY 27 Ca 0.04 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 1whm n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whm s THR 28 N -2.62 2.87 0.26 2.61 2.01 -0.12 0.44 115.64 121.09 1whm s THR 28 Ca 0.04 -2.04 -0.07 0.00 0.31 0.00 0.00 61.69 59.93 1whm s THR 28 Cb -0.00 -2.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 1whm s THR 28 CO 0.03 -0.27 0.55 -0.69 -0.69 0.00 0.00 174.62 173.55 1whm s VAL 29 N -2.12 4.99 0.00 3.82 1.01 0.11 0.50 120.40 128.71 1whm s VAL 29 Ca 0.27 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1whm s VAL 29 Cb -0.07 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1whm s VAL 29 CO 0.15 -0.22 0.00 2.30 0.00 0.00 0.00 175.10 177.33 1whm n ILE 30 N -0.60 0.00 -4.48 2.22 -5.35 -1.20 -3.01 119.36 106.94 1whm n ILE 30 Ca -0.01 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.25 1whm n ILE 30 Cb 0.53 -0.02 -0.16 0.00 -1.74 0.00 0.00 39.64 38.26 1whm n ILE 30 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1whm s PHE 31 N -1.32 1.13 -0.29 4.28 5.36 -1.19 -4.92 117.98 121.04 1whm s PHE 31 Ca 0.00 -0.32 0.01 0.00 -0.96 0.00 0.00 56.93 55.66 1whm s PHE 31 Cb 0.00 -0.81 0.15 0.00 -0.34 0.00 0.00 43.02 42.02 1whm s PHE 31 CO 0.00 -0.14 0.37 0.00 -1.46 0.00 0.00 175.22 173.99 1whm s ASP 33 N 2.48 -0.00 0.91 0.00 1.01 -0.41 -4.58 116.67 116.08 1whm s ASP 33 Ca 0.10 -0.57 -0.14 0.00 0.71 0.00 0.00 52.55 52.64 1whm s ASP 33 Cb -0.13 0.43 0.15 0.00 1.01 0.00 0.00 42.92 44.38 1whm s ASP 33 CO -0.31 -0.84 1.24 0.68 0.21 0.00 0.00 175.17 176.15 1whm s VAL 34 N -2.17 1.98 0.15 -1.27 -7.23 -1.26 -1.47 120.40 109.13 1whm s VAL 34 Ca 0.23 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.49 1whm s VAL 34 Cb -0.02 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1whm s VAL 34 CO 0.04 0.00 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.86 1whm s LEU 35 N -5.84 2.39 -0.00 1.32 1.43 -1.26 -4.82 118.68 111.90 1whm s LEU 35 Ca 0.69 -0.80 -0.36 0.00 -1.03 0.00 0.00 54.13 52.63 1whm s LEU 35 Cb -0.08 -0.96 -0.14 0.00 0.03 0.00 0.00 46.19 45.04 1whm s LEU 35 CO 0.52 0.05 1.65 -2.65 0.23 0.00 0.00 176.35 176.14 1whm n PRO 36 N 0.56 1.78 -2.26 1.29 -0.02 -1.26 -0.78 135.00 134.32 1whm n PRO 36 Ca -0.15 0.65 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 1whm n PRO 36 Cb 0.55 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1whm n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1whm n GLY 37 N 3.65 -0.07 1.57 -1.23 0.00 -1.26 -4.83 105.19 103.02 1whm n GLY 37 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1whm n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whm n LYS 38 N -2.90 0.19 0.10 1.61 5.02 0.04 -4.88 118.16 117.34 1whm n LYS 38 Ca -0.24 -1.97 -0.05 0.00 -2.02 0.00 0.00 58.31 54.03 1whm n LYS 38 Cb 0.69 -0.06 0.07 0.00 -0.02 0.00 0.00 35.03 35.70 1whm n LYS 38 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1whm h GLU 39 N 0.99 0.10 -0.06 1.97 5.08 -1.84 -3.13 114.58 117.69 1whm h GLU 39 Ca -0.28 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 1whm h GLU 39 Cb 1.75 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1whm h GLU 39 CO 0.04 0.80 -0.46 1.03 -1.00 0.00 0.00 179.01 179.42 1whm h SER 40 N 0.06 0.16 -0.07 1.42 0.87 -1.93 -3.15 113.55 110.90 1whm h SER 40 Ca -0.02 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1whm h SER 40 Cb 1.32 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1whm h SER 40 CO 0.11 0.60 0.05 -0.07 -0.53 0.00 0.00 176.83 176.99 1whm h LEU 41 N 0.12 0.09 0.00 2.23 3.38 -1.92 -3.49 115.31 115.72 1whm h LEU 41 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1whm h LEU 41 Cb 0.87 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1whm h LEU 41 CO 0.07 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1whm n GLY 42 N -1.08 -0.36 2.62 0.83 0.00 -1.19 -5.07 105.19 100.94 1whm n GLY 42 Ca -0.06 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1whm n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1whm s TYR 43 N -0.21 1.00 0.71 1.61 1.51 -1.26 -4.66 117.35 116.04 1whm s TYR 43 Ca 0.00 -1.36 -0.15 0.00 -1.01 0.00 0.00 57.07 54.54 1whm s TYR 43 Cb 0.00 -1.29 0.03 0.00 -0.11 0.00 0.00 41.96 40.59 1whm s TYR 43 CO 0.00 -0.85 1.19 -0.06 -1.11 0.00 0.00 175.55 174.72 1whm s PHE 44 N 1.74 2.19 -0.13 2.71 0.08 -0.54 -2.93 117.98 121.10 1whm s PHE 44 Ca 0.10 1.59 -0.08 0.00 0.12 0.00 0.00 56.93 58.66 1whm s PHE 44 Cb -0.17 -3.41 0.05 0.00 -0.57 0.00 0.00 43.02 38.91 1whm s PHE 44 CO -0.28 -2.39 0.31 0.08 -0.10 0.00 0.00 175.22 172.84 1whm s VAL 45 N -2.04 -0.03 -0.30 -0.44 1.01 0.98 -1.29 120.40 118.30 1whm s VAL 45 Ca 0.73 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 1whm s VAL 45 Cb -0.27 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1whm s VAL 45 CO 0.44 0.04 0.29 -0.83 0.00 0.00 0.00 175.10 175.04 1whm s GLY 46 N 1.06 1.91 -0.17 4.51 0.00 0.45 -1.03 107.32 114.06 1whm s GLY 46 Ca -0.07 -1.07 -0.04 0.00 0.00 0.00 0.00 44.72 43.54 1whm s GLY 46 CO -0.08 0.85 -0.02 0.14 0.00 0.00 0.00 173.10 173.99 1whm s VAL 47 N 1.92 3.97 -0.72 1.40 1.01 -0.45 -3.17 120.40 124.36 1whm s VAL 47 Ca 0.11 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 1whm s VAL 47 Cb -0.16 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.55 1whm s VAL 47 CO 0.11 0.48 0.99 -0.62 0.00 0.00 0.00 175.10 176.06 1whm s ASP 48 N 0.49 6.27 1.05 3.32 -1.08 0.18 -0.73 116.67 126.18 1whm s ASP 48 Ca -0.02 -1.23 -0.14 0.00 -0.52 0.00 0.00 52.55 50.63 1whm s ASP 48 Cb -0.14 -2.41 0.22 0.00 -1.46 0.00 0.00 42.92 39.12 1whm s ASP 48 CO 0.02 -1.35 1.10 -0.04 0.52 0.00 0.00 175.17 175.42 1whm s MET 49 N 3.74 -0.02 0.01 4.34 -1.94 -1.07 -0.94 119.30 123.41 1whm s MET 49 Ca 0.24 0.34 0.01 0.00 -1.71 0.00 0.00 55.69 54.57 1whm s MET 49 Cb -0.14 -1.70 -0.26 0.00 2.01 0.00 0.00 34.83 34.74 1whm s MET 49 CO 0.06 -3.00 0.88 -0.44 -0.01 0.00 0.00 175.02 172.50 1whm h ASP 50 N -2.08 0.26 -2.40 3.03 3.32 -1.91 -3.46 116.42 113.18 1whm h ASP 50 Ca -0.53 -0.38 -0.46 0.00 0.02 0.00 0.00 57.03 55.68 1whm h ASP 50 Cb 1.32 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.80 1whm h ASP 50 CO 0.52 1.32 -0.28 0.20 -1.72 0.00 0.00 179.24 179.28 1whm s ASN 51 N -6.79 6.16 -0.80 6.45 -0.87 -1.26 -4.97 114.94 112.85 1whm s ASN 51 Ca -0.07 0.18 -0.10 0.00 -1.57 0.00 0.00 52.86 51.29 1whm s ASN 51 Cb 0.07 -1.73 -0.08 0.00 -0.02 0.00 0.00 41.25 39.49 1whm s ASN 51 CO 0.84 -0.33 1.98 -0.81 -2.57 0.00 0.00 177.10 176.21 1whm n PRO 52 N -1.69 1.76 -0.73 -0.60 -0.04 -1.26 -4.40 135.00 128.04 1whm n PRO 52 Ca -0.04 -1.50 -0.00 0.00 -0.04 0.00 0.00 63.50 61.92 1whm n PRO 52 Cb 0.57 -2.56 0.20 0.00 -0.04 0.00 0.00 33.50 31.68 1whm n PRO 52 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1whm n ILE 53 N 4.81 2.42 -2.75 0.52 -5.35 -0.80 -4.88 119.36 113.31 1whm n ILE 53 Ca 0.43 -2.95 -0.24 0.00 -0.27 0.00 0.00 62.75 59.72 1whm n ILE 53 Cb 0.20 -0.29 0.02 0.00 -1.74 0.00 0.00 39.64 37.84 1whm n ILE 53 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1whm s GLY 54 N -2.82 1.62 -0.03 3.28 0.00 0.31 -4.81 107.32 104.86 1whm s GLY 54 Ca 0.42 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 44.15 1whm s GLY 54 CO -0.03 -0.78 0.98 1.16 0.00 0.00 0.00 173.10 174.44 1whm n ASN 55 N -2.28 -0.97 -3.28 1.64 6.94 -0.47 -4.14 115.26 112.70 1whm n ASN 55 Ca 0.03 -1.88 -0.05 0.00 -0.02 0.00 0.00 54.58 52.66 1whm n ASN 55 Cb 0.58 0.32 -0.05 0.00 -2.36 0.00 0.00 39.78 38.26 1whm n ASN 55 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1whm s TRP 56 N 0.01 -1.11 0.25 -2.53 -0.00 -1.18 -4.89 118.94 109.49 1whm s TRP 56 Ca 0.01 1.06 0.10 0.00 -0.00 0.00 0.00 56.10 57.27 1whm s TRP 56 Cb 0.04 0.18 0.28 0.00 -0.00 0.00 0.00 33.47 33.97 1whm s TRP 56 CO -0.01 -0.80 1.57 0.22 -0.00 0.00 0.00 176.95 177.92 1whm h ASP 57 N 8.12 0.00 0.00 5.86 3.58 -1.86 -2.99 116.42 129.13 1whm h ASP 57 Ca -0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1whm h ASP 57 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1whm h ASP 57 CO 0.26 0.67 0.00 0.61 -2.88 0.00 0.00 179.24 177.90 1whm n GLY 58 N 0.40 0.97 3.32 -0.78 0.00 -1.26 -2.61 105.19 105.24 1whm n GLY 58 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1whm n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1whm s ARG 59 N 0.05 1.38 -0.38 1.61 0.52 -1.26 0.17 118.95 121.03 1whm s ARG 59 Ca 0.00 -1.57 0.01 0.00 -0.52 0.00 0.00 55.73 53.65 1whm s ARG 59 Cb 0.00 0.34 0.13 0.00 0.52 0.00 0.00 34.95 35.94 1whm s ARG 59 CO 0.00 -0.50 0.21 0.12 0.02 0.00 0.00 175.30 175.15 1whm s PHE 60 N -4.00 1.28 -1.57 -0.53 5.36 0.21 -4.84 117.98 113.90 1whm s PHE 60 Ca 0.34 -1.93 -0.01 0.00 -0.96 0.00 0.00 56.93 54.38 1whm s PHE 60 Cb 0.04 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 41.36 1whm s PHE 60 CO 0.13 -0.81 0.08 -3.47 -1.46 0.00 0.00 175.22 169.69 1whm n ASP 61 N 3.94 -5.45 0.00 6.13 -0.08 -1.26 -2.95 116.55 116.87 1whm n ASP 61 Ca 0.09 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1whm n ASP 61 Cb 0.36 -4.48 0.00 0.00 2.34 0.00 0.00 41.12 39.35 1whm n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whm n GLY 62 N -1.08 3.42 3.73 0.27 0.00 -1.26 -5.08 105.19 105.18 1whm n GLY 62 Ca -0.21 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1whm n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whm s VAL 63 N 0.00 2.15 0.04 1.61 0.11 -1.15 -4.96 120.40 118.20 1whm s VAL 63 Ca 0.00 0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.89 1whm s VAL 63 Cb 0.00 -3.07 -0.05 0.00 -1.53 0.00 0.00 36.38 31.73 1whm s VAL 63 CO 0.00 0.01 0.86 -1.58 -3.33 0.00 0.00 175.10 171.07 1whm s GLN 64 N 0.62 4.56 -0.06 1.54 2.00 -1.26 0.68 119.66 127.74 1whm s GLN 64 Ca 0.70 1.23 -0.01 0.00 -2.00 0.00 0.00 55.36 55.28 1whm s GLN 64 Cb -0.48 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 29.89 1whm s GLN 64 CO 0.37 0.15 -0.07 1.28 -0.50 0.00 0.00 175.29 176.52 1whm n LEU 65 N 3.21 1.84 -3.94 3.68 4.77 0.12 -4.92 117.00 121.77 1whm n LEU 65 Ca 0.01 0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 1whm n LEU 65 Cb 0.50 -0.21 -0.17 0.00 -2.33 0.00 0.00 43.42 41.22 1whm n LEU 65 CO 0.49 0.39 -0.44 0.00 -1.33 0.00 0.00 177.39 176.50 1whm h SER 67 N 7.55 0.10 0.23 0.00 0.02 -1.86 -3.30 113.55 116.30 1whm h SER 67 Ca -0.31 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 1whm h SER 67 Cb 1.16 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1whm h SER 67 CO 0.43 1.10 -0.40 -0.26 -1.14 0.00 0.00 176.83 176.57 1whm h PHE 68 N 0.02 0.26 -4.18 3.45 -1.00 -1.95 -3.45 116.94 110.09 1whm h PHE 68 Ca -0.12 -0.07 -0.54 0.00 2.81 0.00 0.00 57.97 60.05 1whm h PHE 68 Cb 1.88 -0.06 0.18 0.00 3.61 0.00 0.00 35.95 41.56 1whm h PHE 68 CO 0.02 0.60 0.38 0.00 -1.61 0.00 0.00 178.31 177.69 1whm s ALA 69 N -4.16 1.96 -0.18 2.45 0.00 -1.24 -5.02 121.76 115.56 1whm s ALA 69 Ca -0.04 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 1whm s ALA 69 Cb 0.13 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.80 1whm s ALA 69 CO 0.77 -2.14 0.46 0.00 0.00 0.00 0.00 175.76 174.85 1whm n VAL 71 N 3.87 2.00 0.00 0.00 3.14 -1.22 -2.54 118.33 123.58 1whm n VAL 71 Ca -0.20 -1.85 0.00 0.00 -2.96 0.00 0.00 64.34 59.33 1whm n VAL 71 Cb 0.56 -2.30 0.00 0.00 -1.06 0.00 0.00 33.84 31.04 1whm n VAL 71 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1whm n GLU 72 N 7.30 0.00 0.00 1.45 0.28 -1.26 -4.79 120.64 123.63 1whm n GLU 72 Ca 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1whm n GLU 72 Cb 0.42 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.29 1whm n GLU 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1whm n SER 73 N -1.00 2.13 -4.77 -1.84 2.88 -1.15 0.11 113.62 109.99 1whm n SER 73 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1whm n SER 73 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1whm n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1whm s THR 74 N -1.80 2.03 -0.12 2.46 2.01 -1.05 -2.61 115.64 116.56 1whm s THR 74 Ca 0.00 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1whm s THR 74 Cb 0.00 -3.02 0.05 0.00 0.01 0.00 0.00 72.50 69.54 1whm s THR 74 CO 0.00 0.01 0.06 -0.63 -0.69 0.00 0.00 174.62 173.36 1whm s ILE 75 N -1.16 0.09 -0.28 1.82 1.01 0.09 -1.37 121.20 121.41 1whm s ILE 75 Ca 0.57 -0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.96 1whm s ILE 75 Cb -0.46 -0.53 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 1whm s ILE 75 CO 0.60 -0.05 0.80 -0.22 0.00 0.00 0.00 174.94 176.08 1whm s LEU 76 N 2.07 4.08 0.28 2.97 2.96 -1.25 -1.34 118.68 128.44 1whm s LEU 76 Ca 0.03 0.80 -0.10 0.00 -0.22 0.00 0.00 54.13 54.64 1whm s LEU 76 Cb -0.14 -3.11 -0.00 0.00 0.50 0.00 0.00 46.19 43.43 1whm s LEU 76 CO -0.06 -0.57 0.48 -0.76 -1.32 0.00 0.00 176.35 174.11 1whm s LEU 77 N 2.91 0.51 0.26 -0.68 1.43 -0.19 -4.86 118.68 118.05 1whm s LEU 77 Ca 0.33 -1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 1whm s LEU 77 Cb -0.15 1.68 -0.10 0.00 0.03 0.00 0.00 46.19 47.66 1whm s LEU 77 CO 0.11 -1.19 1.32 -2.28 0.23 0.00 0.00 176.35 174.54 1whm s HIS 78 N -3.70 3.15 0.31 0.29 2.46 -1.26 -0.01 115.29 116.53 1whm s HIS 78 Ca 0.25 1.28 0.08 0.00 0.47 0.00 0.00 55.06 57.14 1whm s HIS 78 Cb -0.00 -3.66 0.83 0.00 -0.13 0.00 0.00 32.58 29.61 1whm s HIS 78 CO 0.12 -1.97 1.74 0.97 -2.47 0.00 0.00 174.74 173.13 1whm h ILE 79 N 3.39 0.58 -0.26 0.89 6.09 -1.86 0.73 117.51 127.06 1whm h ILE 79 Ca -0.47 -0.21 0.08 0.00 -1.37 0.00 0.00 64.86 62.89 1whm h ILE 79 Cb 1.22 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 1whm h ILE 79 CO 0.72 0.11 0.22 0.78 -3.07 0.00 0.00 178.15 176.92 1whm h ASN 80 N 0.62 0.00 1.01 2.19 2.35 -1.90 0.26 115.58 120.11 1whm h ASN 80 Ca 0.62 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.27 1whm h ASN 80 Cb 1.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 1whm h ASN 80 CO -0.45 0.00 -0.45 -0.78 -1.65 0.00 0.00 177.43 174.10 1whm h ASP 81 N 0.00 0.00 -3.96 5.81 1.82 0.12 -3.45 116.42 116.76 1whm h ASP 81 Ca 0.13 0.00 -0.48 0.00 -0.39 0.00 0.00 57.03 56.29 1whm h ASP 81 Cb 0.57 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.59 1whm h ASP 81 CO -0.00 0.45 0.40 -0.63 -1.61 0.00 0.00 179.24 177.85 1whm s ILE 82 N -3.40 3.79 -0.45 2.25 1.01 0.93 -0.16 121.20 125.16 1whm s ILE 82 Ca 0.01 1.37 0.02 0.00 0.00 0.00 0.00 60.65 62.05 1whm s ILE 82 Cb 0.10 -3.70 0.13 0.00 0.01 0.00 0.00 42.46 39.00 1whm s ILE 82 CO 0.71 0.01 0.24 -0.63 0.00 0.00 0.00 174.94 175.27 1whm s ILE 83 N -1.67 1.56 0.46 2.92 1.01 0.76 -4.92 121.20 121.31 1whm s ILE 83 Ca 0.57 -2.66 -0.08 0.00 0.00 0.00 0.00 60.65 58.49 1whm s ILE 83 Cb -0.21 -2.09 0.11 0.00 0.01 0.00 0.00 42.46 40.28 1whm s ILE 83 CO 0.27 -0.88 0.56 -0.81 0.00 0.00 0.00 174.94 174.07 1whm n PRO 84 N 3.48 -0.92 -1.38 2.79 -0.04 -1.26 -1.40 135.00 136.27 1whm n PRO 84 Ca 0.08 -0.86 0.17 0.00 -0.04 0.00 0.00 63.50 62.84 1whm n PRO 84 Cb 0.34 -0.63 -0.07 0.00 -0.04 0.00 0.00 33.50 33.10 1whm n PRO 84 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1whm n GLU 85 N -2.42 -2.97 -1.47 0.54 2.13 -1.26 -4.84 120.64 110.35 1whm n GLU 85 Ca 0.07 2.31 -0.31 0.00 0.66 0.00 0.00 57.16 59.89 1whm n GLU 85 Cb 0.25 -3.56 0.07 0.00 0.27 0.00 0.00 31.44 28.47 1whm n GLU 85 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1whm s SER 86 N -6.96 4.93 -0.46 4.31 0.15 -1.26 -4.94 113.70 109.47 1whm s SER 86 Ca 0.00 1.78 -0.17 0.00 0.70 0.00 0.00 55.95 58.26 1whm s SER 86 Cb 0.00 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1whm s SER 86 CO 0.00 -1.75 0.47 -0.44 1.20 0.00 0.00 173.24 172.72 1whm s SER 87 N -3.37 6.18 0.00 5.45 0.01 -1.26 -4.94 113.70 115.77 1whm s SER 87 Ca 0.61 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1whm s SER 87 Cb -0.16 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1whm s SER 87 CO 0.53 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1whm n GLY 88 N 5.16 3.80 0.15 3.44 0.00 -1.26 -4.97 105.19 111.51 1whm n GLY 88 Ca -0.09 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 1whm n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whm h PRO 89 N 0.00 0.43 0.00 1.61 0.13 -2.06 -3.47 132.00 128.64 1whm h PRO 89 Ca 0.00 -0.28 -0.25 0.00 -0.87 0.00 0.00 66.00 64.60 1whm h PRO 89 Cb 0.00 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.11 1whm h PRO 89 CO 0.00 0.88 -0.20 -1.13 -0.23 0.00 0.00 178.00 177.32 1whm n SER 90 N -4.42 1.36 0.06 1.44 3.41 -1.26 -5.05 113.62 109.16 1whm n SER 90 Ca -0.07 -1.95 -0.05 0.00 -0.26 0.00 0.00 58.87 56.54 1whm n SER 90 Cb 0.46 0.40 0.14 0.00 -0.26 0.00 0.00 64.21 64.95 1whm n SER 90 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1whm h SER 91 N 0.68 0.38 0.00 4.04 0.87 -1.98 -3.51 113.55 114.04 1whm h SER 91 Ca -0.15 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1whm h SER 91 Cb 0.54 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1whm h SER 91 CO 0.24 0.81 0.00 0.61 -0.53 0.00 0.00 176.83 177.96